1.0 2020-03-25 18:06:10 UTC 2020-04-22 19:08:58 UTC BMDB0098154 TG(15:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) 1-Pentadecanoyl-2-(15Z-tetracosanoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Pentadecanoyl-2-nervonoyl-3-stearidonoyl-glycerol TAG(15:0/24:1/18:4) TAG(57:5) TG(15:0/24:1/18:4) TG(57:5) Tracylglycerol(15:0/24:1/18:4) Tracylglycerol(57:5) Triacylglycerol Triglyceride TG(15:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) C60H106O6 923.502 922.798941133 (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,38,41,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-37,39-40,42-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,41-38-/t57-/m0/s1 USRFPCWUUMBOJX-JYHFBZJRSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.89 ALOGPS logs -8.19 ALOGPS logp 21.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-(pentadecanoyloxy)propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 923.502 ChemAxon mono_mass 922.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C60H106O6 ChemAxon inchi InChI=1S/C60H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,33,38,41,57H,4-7,9-10,12-16,18-19,21-24,28-32,34-37,39-40,42-56H2,1-3H3/b11-8-,20-17-,27-25-,33-26-,41-38-/t57-/m0/s1 ChemAxon inchikey USRFPCWUUMBOJX-JYHFBZJRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 288.28 ChemAxon polarizability 121.26 ChemAxon rotatable_bond_count 54 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 669922 Specdb::MsMs 669923 Specdb::MsMs 669924 Specdb::MsMs 964567 Specdb::MsMs 964568 Specdb::MsMs 964569 Specdb::MsMs 2393860 Specdb::MsMs 2393861 Specdb::MsMs 2393862 Specdb::MsMs 2431453 Specdb::MsMs 2431454 Specdb::MsMs 2431455 Specdb::MsMs 2482924 Specdb::MsMs 2482925 Specdb::MsMs 2482926 Specdb::MsMs 2507878 Specdb::MsMs 2507879 Specdb::MsMs 2507880 Specdb::MsMs 2922799 Specdb::MsMs 2922800 Specdb::MsMs 2922801 131754511